N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C21H22N2O3 — CID 2557396

IUPACN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-17(9-11-19)12-21(24)22-13-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyARAYBCDOKOBHKY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 2557396) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID2557396
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-17(9-11-19)12-21(24)22-13-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyARAYBCDOKOBHKY-UHFFFAOYSA-N
XLogP3.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 2557396) is N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is ARAYBCDOKOBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-17(9-11-19)12-21(24)22-13-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 2557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).